methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate

C15H20O2 — CID 167286299

IUPACmethyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate
SMILESCC=Cc1cc(C)c(CC(=O)OC)c(CC)c1
InChIInChI=1S/C15H20O2/c1-5-7-12-8-11(3)14(10-15(16)17-4)13(6-2)9-12/h5,7-9H,6,10H2,1-4H3
InChIKeyFDYKTRMLGWTVSK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate

methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate (PubChem CID 167286299) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate
PubChem CID167286299
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate
SMILESCC=Cc1cc(C)c(CC(=O)OC)c(CC)c1
InChIInChI=1S/C15H20O2/c1-5-7-12-8-11(3)14(10-15(16)17-4)13(6-2)9-12/h5,7-9H,6,10H2,1-4H3
InChIKeyFDYKTRMLGWTVSK-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate?
The IUPAC name of methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate (CID 167286299) is methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate is CC=Cc1cc(C)c(CC(=O)OC)c(CC)c1.
What is the InChIKey of methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate?
The InChIKey is FDYKTRMLGWTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-7-12-8-11(3)14(10-15(16)17-4)13(6-2)9-12/h5,7-9H,6,10H2,1-4H3.
What are the key properties of methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate?
methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate has a molecular weight of 232.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate is sourced from PubChem (CID 167286299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).